REMARK Name = BDB005923 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.270 -1.018 0.012 0.00 0.00 +0.099 A ATOM 2 C LIG 1 -1.459 0.090 0.288 0.00 0.00 +0.096 A ATOM 3 C LIG 1 -1.855 1.048 1.225 0.00 0.00 +0.095 A ATOM 4 N LIG 1 -0.946 2.066 1.314 0.00 0.00 -0.214 NA ATOM 5 C LIG 1 0.001 1.774 0.460 0.00 0.00 +0.200 A ATOM 6 C LIG 1 -3.047 0.906 1.931 0.00 0.00 +0.061 A ATOM 7 C LIG 1 -3.779 -0.224 1.631 0.00 0.00 +0.112 A ATOM 8 N LIG 1 -0.223 0.545 -0.134 0.00 0.00 -0.310 N ATOM 9 N LIG 1 -3.426 -1.161 0.714 0.00 0.00 -0.241 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 1.117 2.498 0.177 0.00 0.00 -0.293 N ATOM 11 C LIG 1 0.962 3.643 -0.751 0.00 0.00 +0.105 C ATOM 12 C LIG 1 0.295 4.841 -0.065 0.00 0.00 +0.139 C ATOM 13 C LIG 1 0.138 5.810 -1.226 0.00 0.00 +0.033 C ATOM 14 C LIG 1 -0.218 4.911 -2.419 0.00 0.00 +0.004 C ATOM 15 O LIG 1 1.125 5.331 0.987 0.00 0.00 -0.373 OA ATOM 16 C LIG 1 1.264 4.289 1.978 0.00 0.00 +0.179 C ATOM 17 C LIG 1 0.116 3.467 -2.002 0.00 0.00 +0.025 C ATOM 18 C LIG 1 1.851 2.982 1.391 0.00 0.00 +0.136 C ENDBRANCH 5 10 BRANCH 1 22 ATOM 19 C LIG 1 -0.990 -5.698 -1.242 0.00 0.00 +0.045 C ATOM 20 C LIG 1 -1.371 -4.299 -1.607 0.00 0.00 -0.032 A ATOM 21 C LIG 1 -1.631 -3.338 -0.624 0.00 0.00 +0.016 A ATOM 22 C LIG 1 -2.008 -2.039 -0.985 0.00 0.00 +0.021 A ATOM 23 C LIG 1 -2.158 -1.784 -2.346 0.00 0.00 +0.120 A ATOM 24 N LIG 1 -1.920 -2.686 -3.326 0.00 0.00 -0.262 NA ATOM 25 C LIG 1 -1.540 -3.922 -2.933 0.00 0.00 +0.114 A ENDBRANCH 1 22 BRANCH 7 26 ATOM 26 C LIG 1 -5.052 -0.482 2.323 0.00 0.00 +0.201 A ATOM 27 N LIG 1 -5.759 -1.573 2.002 0.00 0.00 -0.270 N ATOM 28 H LIG 1 -5.518 -2.266 1.313 0.00 0.00 +0.174 HD ATOM 29 C LIG 1 -6.855 -1.565 2.771 0.00 0.00 +0.440 A ATOM 30 O LIG 1 -7.743 -2.401 2.768 0.00 0.00 -0.221 OA ATOM 31 O LIG 1 -6.813 -0.448 3.572 0.00 0.00 -0.295 OA ATOM 32 N LIG 1 -5.600 0.242 3.242 0.00 0.00 -0.053 NA ENDBRANCH 7 26 BRANCH 8 33 ATOM 33 C LIG 1 0.739 -0.116 -1.000 0.00 0.00 +0.128 C BRANCH 33 34 ATOM 34 C LIG 1 1.952 -0.715 -0.261 0.00 0.00 +0.009 C ATOM 35 C LIG 1 3.024 -1.150 -1.280 0.00 0.00 +0.005 C ATOM 36 C LIG 1 3.856 -2.354 -0.833 0.00 0.00 +0.003 C ATOM 37 C LIG 1 4.102 -2.404 0.677 0.00 0.00 -0.014 C ATOM 38 C LIG 1 5.053 -1.291 1.127 0.00 0.00 +0.007 C ATOM 39 C LIG 1 2.781 -2.372 1.468 0.00 0.00 +0.003 C ATOM 40 C LIG 1 1.576 -1.880 0.660 0.00 0.00 +0.005 C ENDBRANCH 33 34 ENDBRANCH 8 33 TORSDOF 5